Geometry & MOs

Info

ID:	189754
PubChem CID:	77900203
Reduced:	SO2N6C17H18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	78.36
Dipole, Da:	6.55
IP(EA), eV:	-8.88(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=NO1)C2=CN=CC=C2)C(=O)C3CNNC3C4=CC=CS4

DOS

IR

Vibrations